(4-methoxypiperidin-4-yl)methanesulfonyl chloride

C7H14ClNO3S — CID 105485083

IUPAC(4-methoxypiperidin-4-yl)methanesulfonyl chloride
SMILESCOC1(CS(=O)(=O)Cl)CCNCC1
InChIInChI=1S/C7H14ClNO3S/c1-12-7(6-13(8,10)11)2-4-9-5-3-7/h9H,2-6H2,1H3
InChIKeyPDDDJEZFTOSMLJ-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.32
Rot. Bonds3

About (4-methoxypiperidin-4-yl)methanesulfonyl chloride

(4-methoxypiperidin-4-yl)methanesulfonyl chloride (PubChem CID 105485083) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)methanesulfonyl chloride
PubChem CID105485083
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name(4-methoxypiperidin-4-yl)methanesulfonyl chloride
SMILESCOC1(CS(=O)(=O)Cl)CCNCC1
InChIInChI=1S/C7H14ClNO3S/c1-12-7(6-13(8,10)11)2-4-9-5-3-7/h9H,2-6H2,1H3
InChIKeyPDDDJEZFTOSMLJ-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)methanesulfonyl chloride?
The IUPAC name of (4-methoxypiperidin-4-yl)methanesulfonyl chloride (CID 105485083) is (4-methoxypiperidin-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (4-methoxypiperidin-4-yl)methanesulfonyl chloride?
The canonical SMILES for (4-methoxypiperidin-4-yl)methanesulfonyl chloride is COC1(CS(=O)(=O)Cl)CCNCC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)methanesulfonyl chloride?
The InChIKey is PDDDJEZFTOSMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-12-7(6-13(8,10)11)2-4-9-5-3-7/h9H,2-6H2,1H3.
What are the key properties of (4-methoxypiperidin-4-yl)methanesulfonyl chloride?
(4-methoxypiperidin-4-yl)methanesulfonyl chloride has a molecular weight of 227.71 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 105485083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).